Benz[a]anthracene-d₁₂ - ≥98 atom% D,≥99% , CAS No.1718-53-2

CAS: 1718-53-2 Cat. No.: B471948 Formule: C₁₈D₁₂ Poids moléculaire: 240.36 Numéro CE: 624-576-3

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

AKOS015903794 | Benz[a]anthracene-d12, 98 atom % D | Benz[a]anthracene D12 10 microg/mL in Acetonitrile | D99428 | BAA71853 | Benz[a]anthracene D12 | Tetraphene-d12 | Benz[a]anthracene D12 10 microg/mL in Cyclohexane | (?H??)tetraphene | J-010767 | BENZO(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

AKOS015903794 | Benz[a]anthracene-d12, 98 atom % D | Benz[a]anthracene D12 10 microg/mL in Acetonitrile | D99428 | BAA71853 | Benz[a]anthracene D12 | Tetraphene-d12 | Benz[a]anthracene D12 10 microg/mL in Cyclohexane | (?H??)tetraphene | J-010767 | BENZO(

Spécifications et pureté

≥98 atom% D,≥99%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98 atom% D,≥99%

Noms et identifiants

Pubchem Sid

528775274

Sourires canoniques

[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c23

IUPAC Name

1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene

InChIKey

DXBHBZVCASKNBY-AQZSQYOVSA-N

INCHI

1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

Isomères SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C(=C4C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]

WGK Allemagne

2

CAS alternatif

56-55-3（unlabelled）

Numéro ONU

2811

Poids moléculaire

240.36

Reaxy-Rn

1909298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Point de fusion (°C): 157-159°C
• Poids moléculaire: 240.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.169 Da
• Monoisotopic Mass: 240.169 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 12
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1